Related papers: Effective tight-binding model for the iron vacancy…
A very fundamental and unconventional characteristic of superconductivity in iron-based materials is that it occurs in the vicinity of {\it two} other instabilities. Apart from a tendency towards magnetic order, these Fe-based systems have…
We examine the influence of the excess of interstitial Fe on the magnetic properties of Fe$_{1+y}$Te compounds. Because in iron chalcogenides the correlations are stronger than in the iron arsenides, we assume in our model that some of the…
Nematic order resulting from the partial melting of density-waves has been proposed as the mechanism to explain nematicity in iron-based superconductors. An outstanding question, however, is whether the microscopic electronic model for…
BaFe2S3 is a special iron superconductor with two-leg ladder structure which can help to unravel the role played by the electronic correlations in high-Tc superconductivity. At zero pressure it is insulating with stripe antiferromagnetic…
We study spin resonance in the superconducting state of recently discovered alkali-intercalated iron selenide materials A_xFe_(2-y)Se_2 (A=K,Rb,Cs) in which the Fermi surface has only electron pockets. Recent angle-resolved photoemission…
The recently discovered FeAs-based superconductors show intriguing behavior and unusual dynamics of electrons and holes which occupy the Fe $d$-orbitals and As $4s$ and $4p$ orbitals. Starting from the atomic limit, we carry out a strong…
We report calculations of the electronic structure and magnetic properties of YFe$_2$Ge$_2$ and discuss the results in terms of the observed superconductivity near magnetism. We find that YFe$_2$Ge$_2$ is a material near a magnetic quantum…
Kagome metals offer a unique platform for investigating robust electron-correlation effects because of their lattice geometry, flat bands and multi-orbital nature. In the cases with active flat bands, recent theoretical studies have pointed…
Neutron scattering, with its ability to measure the crystal structure, the magnetic order, and the structural and magnetic excitations, plays an active role in investigating various families of Fe-based high-Tc superconductors. Three…
Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band…
We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements,…
Moir\'e materials with flat electronic bands provide a highly controllable quantum system for studies of strong-correlation physics and topology. In particular, angle-aligned heterobilayers of semiconducting transition metal dichalcogenides…
Using linear-response density-functional theory, we obtain the magnetic interactions in the several iron pnictides. The ground state has been found to be non-collinear in FeSe, with a large continuum of nearly degenerate states lying very…
Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…
The Fe-vacancy ordering patterns in the superconducting KxFe2-ySe2 and non-superconducting Kx(Fe,Co)2-ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy.…
The recently discovered iron-based superconductors A$_{y}$Fe$_{2-x}$Se$_{2}$ ($A$=K, Rb, Cs, Tl) show a long-range antiferromagnetic order with an unexpected high transition temperature $T_N \sim 550$ K and a unique $\sqrt{5} \times…
Monolayer transition metal dichalcogenides $MX_2$ ($M$ = Mo,W and $X$ = Te, Se, S) in 1T' structure were predicted to be quantum spin Hall insulators based on first-principles calculations, which were quickly confirmed by multiple…
Highly energetic magnetic fluctuations, discovered in high-temperature superconductors (HTSC) by inelastic neutron scattering (INS), are now widely believed to be vital for the superconductivity. In two competing scenarios, they either…
Antiferromagnetism is relevant to high temperature (high-Tc) superconductivity because copper oxide and iron arsenide high-Tc superconductors arise from electron- or hole-doping of their antiferromagnetic (AF) ordered parent compounds.…